2-[3-(aminomethyl)phenyl]-3H-phenanthro[9,10-b]pyrrole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole

C124H85Br7N22O4 — CID 158165642

IUPAC2-[3-(aminomethyl)phenyl]-3H-phenanthro[9,10-b]pyrrole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
SMILESBrc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccc(Br)cc5c4[nH]3)c2c1.Brc1ccc2[nH]cc(CNc3ccc4c5ccccc5c5[nH]c(-c6c[nH]c7ccc(Br)cc67)nc5c4c3)c2c1.NCc1cccc(C2=Nc3c(c4cc(N)ccc4c4ccc(N)cc34)C2)c1.Nc1ccc2c(c1)C1N=C(c3c[nH]c4ccc(Br)cc34)NC1c1cc(N)ccc1-2.O=[N+]([O-])c1ccc2c(c1)C1N=C(c3c[nH]c4ccc(Br)cc34)NC1c1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C32H21Br2N5.C23H12Br3N3.C23H14BrN5O4.C23H18BrN5.C23H20N4/c33-18-5-9-28-24(11-18)17(15-36-28)14-35-20-7-8-22-21-3-1-2-4-23(21)30-31(26(22)13-20)39-32(38-30)27-16-37-29-10-6-19(34)12-25(27)29;24-11-1-4-14-15-5-2-12(25)9-18(15)22-21(17(14)8-11)28-23(29-22)19-10-27-20-6-3-13(26)7-16(19)20;24-11-1-6-20-16(7-11)19(10-25-20)23-26-21-17-8-12(28(30)31)2-4-14(17)15-5-3-13(29(32)33)9-18(15)22(21)27-23;24-11-1-6-20-16(7-11)19(10-27-20)23-28-21-17-8-12(25)2-4-14(17)15-5-3-13(26)9-18(15)22(21)29-23;24-12-13-2-1-3-14(8-13)22-11-21-19-9-15(25)4-6-17(19)18-7-5-16(26)10-20(18)23(21)27-22/h1-13,15-16,35-37H,14H2,(H,38,39);1-10,27H,(H,28,29);1-10,21-22,25H,(H,26,27);1-10,21-22,27H,25-26H2,(H,28,29);1-10H,11-12,24-26H2
InChIKeyFWUQQDSOJLVMPS-UHFFFAOYSA-N
MW2506.52 g/mol
LogP32.70
Rot. Bonds11

About 2-[3-(aminomethyl)phenyl]-3H-phenanthro[9,10-b]pyrrole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole

2-[3-(aminomethyl)phenyl]-3H-phenanthro[9,10-b]pyrrole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole (PubChem CID 158165642) has the molecular formula C124H85Br7N22O4 and a molecular weight of 2506.52 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenyl]-3H-phenanthro[9,10-b]pyrrole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenyl]-3H-phenanthro[9,10-b]pyrrole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
PubChem CID158165642
Molecular FormulaC124H85Br7N22O4
Molecular Weight2506.52 g/mol
Exact Mass2498.14
IUPAC Name2-[3-(aminomethyl)phenyl]-3H-phenanthro[9,10-b]pyrrole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
SMILESBrc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccc(Br)cc5c4[nH]3)c2c1.Brc1ccc2[nH]cc(CNc3ccc4c5ccccc5c5[nH]c(-c6c[nH]c7ccc(Br)cc67)nc5c4c3)c2c1.NCc1cccc(C2=Nc3c(c4cc(N)ccc4c4ccc(N)cc34)C2)c1.Nc1ccc2c(c1)C1N=C(c3c[nH]c4ccc(Br)cc34)NC1c1cc(N)ccc1-2.O=[N+]([O-])c1ccc2c(c1)C1N=C(c3c[nH]c4ccc(Br)cc34)NC1c1cc([N+](=O)[O-])ccc1-2
InChIInChI=1S/C32H21Br2N5.C23H12Br3N3.C23H14BrN5O4.C23H18BrN5.C23H20N4/c33-18-5-9-28-24(11-18)17(15-36-28)14-35-20-7-8-22-21-3-1-2-4-23(21)30-31(26(22)13-20)39-32(38-30)27-16-37-29-10-6-19(34)12-25(27)29;24-11-1-4-14-15-5-2-12(25)9-18(15)22-21(17(14)8-11)28-23(29-22)19-10-27-20-6-3-13(26)7-16(19)20;24-11-1-6-20-16(7-11)19(10-25-20)23-26-21-17-8-12(28(30)31)2-4-14(17)15-5-3-13(29(32)33)9-18(15)22(21)27-23;24-11-1-6-20-16(7-11)19(10-27-20)23-28-21-17-8-12(25)2-4-14(17)15-5-3-13(26)9-18(15)22(21)29-23;24-12-13-2-1-3-14(8-13)22-11-21-19-9-15(25)4-6-17(19)18-7-5-16(26)10-20(18)23(21)27-22/h1-13,15-16,35-37H,14H2,(H,38,39);1-10,27H,(H,28,29);1-10,21-22,25H,(H,26,27);1-10,21-22,27H,25-26H2,(H,28,29);1-10H,11-12,24-26H2
InChIKeyFWUQQDSOJLVMPS-UHFFFAOYSA-N
XLogP32.70
TPSA425.86 Ų
H-Bond Donors15
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002506.52
LogP ≤ 532.70
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[3-(aminomethyl)phenyl]-3H-phenanthro[9,10-b]pyrrole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole with MolForge

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Related Compounds

2-(5-bromo-1H-indol-3-yl)-1H-phenanthro(9,10-d)imidazole
CID 11851317
[3-[[2-(5-bromo-1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-5-yl]iminomethyl]-1H-indol-5-yl] thiohypofluorite
CID 143655510
3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole
CID 160883551
3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole;2-(2-methyl-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole;2-(2-methyl-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;2-methyl-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole
CID 161285357
3-[4,5-bis(3-iodophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;3-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-chlorophenyl)-4-(4-phenylphenyl)-1H-imidazol-2-yl]-1H-indole;2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine;5-bromo-3-[5-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indole
CID 162090421
2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-amine
CID 58882237
2-(5-bromo-1H-indol-3-yl)-7-nitro-1H-phenanthro[9,10-d]imidazole
CID 58882254
2-(5-bromo-1H-indol-3-yl)-5,10-dimethyl-1H-phenanthro[9,10-d]imidazole
CID 58882261
N-[(5-bromo-1H-indol-3-yl)methyl]-2-(1H-indol-3-yl)-3H-phenanthro[9,10-d]imidazol-6-amine
CID 58882267
5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole
CID 58882268
1-[2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazol-5-yl]-3-phenylthiourea
CID 58882270
2-(5-bromo-1H-indol-3-yl)-5-nitro-1H-phenanthro[9,10-d]imidazole
CID 58882271

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenyl]-3H-phenanthro[9,10-b]pyrrole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 2-[3-(aminomethyl)phenyl]-3H-phenanthro[9,10-b]pyrrole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole (CID 158165642) is 2-[3-(aminomethyl)phenyl]-3H-phenanthro[9,10-b]pyrrole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-[3-(aminomethyl)phenyl]-3H-phenanthro[9,10-b]pyrrole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-[3-(aminomethyl)phenyl]-3H-phenanthro[9,10-b]pyrrole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole is Brc1ccc2[nH]cc(-c3nc4c5cc(Br)ccc5c5ccc(Br)cc5c4[nH]3)c2c1.Brc1ccc2[nH]cc(CNc3ccc4c5ccccc5c5[nH]c(-c6c[nH]c7ccc(Br)cc67)nc5c4c3)c2c1.NCc1cccc(C2=Nc3c(c4cc(N)ccc4c4ccc(N)cc34)C2)c1.Nc1ccc2c(c1)C1N=C(c3c[nH]c4ccc(Br)cc34)NC1c1cc(N)ccc1-2.O=[N+]([O-])c1ccc2c(c1)C1N=C(c3c[nH]c4ccc(Br)cc34)NC1c1cc([N+](=O)[O-])ccc1-2.
What is the InChIKey of 2-[3-(aminomethyl)phenyl]-3H-phenanthro[9,10-b]pyrrole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?
The InChIKey is FWUQQDSOJLVMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21Br2N5.C23H12Br3N3.C23H14BrN5O4.C23H18BrN5.C23H20N4/c33-18-5-9-28-24(11-18)17(15-36-28)14-35-20-7-8-22-21-3-1-2-4-23(21)30-31(26(22)13-20)39-32(38-30)27-16-37-29-10-6-19(34)12-25(27)29;24-11-1-4-14-15-5-2-12(25)9-18(15)22-21(17(14)8-11)28-23(29-22)19-10-27-20-6-3-13(26)7-16(19)20;24-11-1-6-20-16(7-11)19(10-25-20)23-26-21-17-8-12(28(30)31)2-4-14(17)15-5-3-13(29(32)33)9-18(15)22(21)27-23;24-11-1-6-20-16(7-11)19(10-27-20)23-28-21-17-8-12(25)2-4-14(17)15-5-3-13(26)9-18(15)22(21)29-23;24-12-13-2-1-3-14(8-13)22-11-21-19-9-15(25)4-6-17(19)18-7-5-16(26)10-20(18)23(21)27-22/h1-13,15-16,35-37H,14H2,(H,38,39);1-10,27H,(H,28,29);1-10,21-22,25H,(H,26,27);1-10,21-22,27H,25-26H2,(H,28,29);1-10H,11-12,24-26H2.
What are the key properties of 2-[3-(aminomethyl)phenyl]-3H-phenanthro[9,10-b]pyrrole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole?
2-[3-(aminomethyl)phenyl]-3H-phenanthro[9,10-b]pyrrole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole has a molecular weight of 2506.52 g/mol, XLogP of 32.70, 11 rotatable bonds, 15 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenyl]-3H-phenanthro[9,10-b]pyrrole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole-5,10-diamine;2-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-1H-phenanthro[9,10-d]imidazol-5-amine;2-(5-bromo-1H-indol-3-yl)-5,10-dinitro-3a,11b-dihydro-1H-phenanthro[9,10-d]imidazole;5,10-dibromo-2-(5-bromo-1H-indol-3-yl)-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 158165642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).